Molecule ID: mol16882

SMILES: COc1ccc(F)cc1CNCCCNc1ccnc2cc(-c3ccccc3)ccc12

InChI: InChI=1S/C26H26FN3O/c1-31-26-11-9-22(27)16-21(26)18-28-13-5-14-29-24-12-15-30-25-17-20(8-10-23(24)25)19-6-3-2-4-7-19/h2-4,6-12,15-17,28H,5,13-14,18H2,1H3,(H,29,30)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
9.47 Baltruschat ChEMBL 1 » 0
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Charge States and Microspecies Visualization